N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide

C21H22FN3O4S — CID 175880760

IUPACN-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc(Oc2c(C)cc(F)cc2C)c(-c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C21H22FN3O4S/c1-5-30(27,28)24-17-10-18(15-6-7-19(26)25(4)12-15)21(23-11-17)29-20-13(2)8-16(22)9-14(20)3/h6-12,24H,5H2,1-4H3
InChIKeyXJUFMYDDFGMNTH-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.76
Rot. Bonds6

About N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide

N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide (PubChem CID 175880760) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
PubChem CID175880760
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC NameN-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc(Oc2c(C)cc(F)cc2C)c(-c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C21H22FN3O4S/c1-5-30(27,28)24-17-10-18(15-6-7-19(26)25(4)12-15)21(23-11-17)29-20-13(2)8-16(22)9-14(20)3/h6-12,24H,5H2,1-4H3
InChIKeyXJUFMYDDFGMNTH-UHFFFAOYSA-N
XLogP3.76
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide with MolForge

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Related Compounds

N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118138005
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide
CID 72548032
N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137846
N-[6-(2,4-difluorophenoxy)-5-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
CID 137635588
N-[4-(4-Fluoro-2-methoxy-phenyl)-pyridin-3-yl]-N-(2-methanesulfonyl-ethyl)-3,5-bis-tri fluoro methyl-benzamide
CID 86670789
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 118116641
(2E)-3-[2-{[5-(acetylamino)-3-methylpyridin-2-yl]oxy}-4-(2-methoxyethoxy)phenyl]-N-(pentylsulfonyl)acrylamide
CID 68549591
(2E)-3-[2-[(5-amino-3-methylpyridin-2-yl)oxy]-4-(2-methoxyethoxy)phenyl]-N-(pentylsulfonyl)acrylamide dihydrochloride
CID 68554159
US10023592, Example 320
CID 118022091
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 42878479
(E)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
CID 5712981
(E)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
CID 5712982

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide (CID 175880760) is N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cnc(Oc2c(C)cc(F)cc2C)c(-c2ccc(=O)n(C)c2)c1.
What is the InChIKey of N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is XJUFMYDDFGMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-5-30(27,28)24-17-10-18(15-6-7-19(26)25(4)12-15)21(23-11-17)29-20-13(2)8-16(22)9-14(20)3/h6-12,24H,5H2,1-4H3.
What are the key properties of N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide?
N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 431.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 175880760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).